Consensus flow list

Identity

Type
Neutral molecule
CAS
10326-41-7
EC
233-713-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for D-Lactic Acid

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JVTAAEKCZFNVCJ-UWTATZPHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@H](O)C(=O)O
IUPAC name chemrof:IUPAC_name D-Lactic Acid
Molecular formula chemrof:molecular_formula C3H6O3
Molecular mass chemrof:molecular_mass 90.078
Monoisotopic mass chemrof:monoisotopic_mass 90.03169, 90.031694
SMILES string chemrof:smiles_string CC(O)C(=O)O

Known URLs

29

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
beilstein beilstein:1720252 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=10326-41-7 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=106989-11-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42111 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.030.636 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0047030 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB03066 enrich_references.chebi_xrefs
DrugBank https://go.drugbank.com/drugs/DB04398 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB03066 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL358850 enrich_references.pubchem_identifier_url
gmelin gmelin:362718 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3Q6M5SET7W enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0001311 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.141C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00256 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00256 enrich_references.pubchem_identifier_url
knapsack knapsack:C00019549 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37720 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:LAC enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/GQBPAB5MQB7V enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL358850 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61503 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21842515 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22127808 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22277286 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22344644 enrich_references.chebi_xrefs
reaxys reaxys:1720252 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27077083 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Lactic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
a42bb905-30bc-4b34-8142-20aa7cfe26d7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3ae94b02-7ab6-4841-9b5b-2ee507516265 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cc6969e8-549d-4024-92b4-7a3467f6b561 Environmental → Air → Indoor EF 3.1 kg 2
c2710c50-a99a-439f-811e-d522933e3344 Environmental → Air → Long-term EF 3.1 kg 0
7d5c3dcf-7eed-4715-8d9e-805558daca0a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6338bf01-aebe-4808-bac3-30ce3e1af3e1 Environmental → Air → Unknown EF 3.1 kg 2
3afa1f6e-9bb1-4315-a17a-7619e557df91 Environmental → Ground → Agricultural EF 3.1 kg 2
e0cb71f7-b289-4c29-9580-2b095ad480c5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2b507fcf-30b1-425e-a426-76aaf82daeb1 Environmental → Ground → Unknown EF 3.1 kg 2
5b2231fd-005b-40f1-8b0b-a60216eaeb25 Environmental → Water → Long-term EF 3.1 kg 0
7cb0bbb6-cd6e-408d-9f43-0e9e35ac6a42 Environmental → Water → Ocean EF 3.1 kg 2
1feacf63-b904-45ab-a11b-5943cb08d3fd Environmental → Water → Surface water EF 3.1 kg 2
863b1c1d-c049-4983-b4b0-1f04c9caf83e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-43eb147a5c080dcd",
  "prefLabel": [
    {
      "@value": "D-Lactic Acid",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2R)-2-hydroxypropanoic acid",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(R)-(-)-lactic acid",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(R)-2-Hydroxy-propionic acid",
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      "provenance": {
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      }
    },
    {
      "@value": "(R)-2-Hydroxypropanoic acid",
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      }
    },
    {
      "@value": "(R)-2-Hydroxypropionic acid",
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    },
    {
      "@value": "(R)-α-Hydroxypropionic acid",
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    },
    {
      "@value": "2R-Hydroxypropionic acid",
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    },
    {
      "@value": "D-2-Hydroxypropanoic acid",
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    },
    {
      "@value": "D-Milchsaeure",
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    },
    {
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    },
    {
      "@value": "Propanoic acid, 2-hydroxy-, (2R)-",
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